暂无可渲染的结构数据
CC(C)(C)OC(=O)NCC1CCC(CC1)CO中间体产品
tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate
结构、标识符和计算性质已按 CAS 与数据库记录完成匹配。
| 中文名称 | 反式-4-(BOC-氨甲基)环己烷甲醇 |
|---|---|
| English name | tert-butyl N-[[4-(hydroxymethyl)cyclohexyl]methyl]carbamate |
| IUPAC 名称 | — |
| CAS号 | 172348-63-9 |
| 数据库编号 | 18397396 |
| 分子式 | — |
| 分子量 | — |
产品信息
反式-4-(BOC-氨甲基)环己烷甲醇（CAS 172348-63-9）的产品身份、结构标识及相关反应资料，供化学中间体检索、研发和采购评估使用。
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数据库编号 18397396
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合成路线数据
10 条反应 · 10 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-7ab79c556f44424293bfe2d90ca98a12反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-a9d75559fcf548c29bf3545bc4288136反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-6586360839ec4b0fafb215aea440f05a反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-7ab79c556f44424293bfe2d90ca98a12反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-a9d75559fcf548c29bf3545bc4288136反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-f6b2e961ac144c2896273ac97ae8c853反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-f6b2e961ac144c2896273ac97ae8c853反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-6398c3e64aba4264a08f2b0cbdf19eb4反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-6398c3e64aba4264a08f2b0cbdf19eb4反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (4-Hydroxymethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester (965 mg, 4.0 mmol) was dissolved in DCM (20 ml) and cooled down to −78° C. Dess Martin reagent (2.52 g, 6.0 mmol) was dissolved in DCM (30 ml) and added slowly to the stage 2 alcohol in solution. The reaction mixture was then stirred at r.t. for 3 h. The resulting solution was poured into a vigorously stirred saturated NaHCO3 and Na2S2O3 solution (1:1, 100 ml). The organic layer was separated and washed with brine, dried over magnesium sulfate and evaporated to dryness to yield the product (786 mg, 82% yield). 1H NMR (300 MHz, CDCl3), δ: 0.83-1.01 (2H, m, CH2), 1.15-1.24 (2H, m, CH2), 1.34 (9H, s, Boc), 1.75-1.88 (2H, m, CH2), 1.90-2.00 (2H, m, CH2), 2.05-2.18 (1H, m, CH), 2.93 (2H, t, J=6.4 Hz, CH2NH), 4.53 (1H, br. s, CHCHO), 9.55 (1H, s, CHO) The organic layer was separated washed with brine dried over magnesium sulfate evaporated to dryness
来源 ID: ord-6586360839ec4b0fafb215aea440f05aPubChem References
以下资料来自该化合物的公开数据库参考记录。